Andréi Zaitsevskii on Muck Rack

Andréi Zaitsevskii

As seen in: Taylor & Francis Online
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Articles

Finite-order method to calculate approximate density matrices in the Fock-space multireference coupled cluster theory

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By Alexander V. Oleynichenko, Leonid V. Skripnikov, Andréi Zaitsevskii, Ephraim Eliav
| Taylor & Francis Online
Abstract An efficient approach to calculate approximate pure-state and transition reduced density matrices in the framework of the multireference relativistic Fock-space coupled cluster (FS CC) theory is proposed. The method is based on the effective operator formalism and consists of the direct substitution of the FS CC Ansatz for a wave operator into the effective operator expression with the subsequent truncation of expansion at the terms quadratic in cluster amplitudes.
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